SCHEMBL10614545

SCHEMBL10614545

[CH2]c1cccc(C(=O)N(CCBr)CCBr)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 1/20 0.36
LMNA P02545 4/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARG P37231 1/20 0.33
TP53 P04637 1/20 0.33
PTPN1 P18031 1/20 0.32
GSK3B P49841 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5544999 0.83 TP53 (0.51) HPGDTDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL10611083 0.83 HPGD (0.42) HPGDTDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL1531067 0.79 HPGD (0.67) HPGDTDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL1531071 0.78 HPGD (0.57) HPGDTDP1ALDH1A1BACE1LMNA
SCHEMBL1195997 0.73 ERN1 (0.46) HPGDTDP1ALDH1A1KMT2AMEN1
SCHEMBL1196682 0.72 MEN1 (0.47) HPGDTDP1KMT2AL3MBTL1MEN1
SCHEMBL1196990 0.71 HPGD (0.51) HPGDTDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL7736980 0.71 FFAR4 (0.38) HPGDTDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL16276206 0.70 ADRA2C (0.51) HPGDTDP1ALDH1A1KMT2AL3MBTL1
SCHEMBL10612821 0.70 L3MBTL1 (0.51) HPGDALDH1A1KMT2AL3MBTL1LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4793948-A ANTICARCINOGENIC AGENTS WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1988-12-27 US disclosed
EP-0232788-A1 Bile acid derivatives and production thereof WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1987-08-19 EP disclosed